6-(2-chloro-1-methylbenzimidazol-5-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile

C24H23ClN6 — CID 137374374

IUPAC6-(2-chloro-1-methylbenzimidazol-5-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
SMILESCn1c(Cl)nc2cc(-c3nc(C#N)ccc3-c3cnn(CC4(C)CCCC4)c3)ccc21
InChIInChI=1S/C24H23ClN6/c1-24(9-3-4-10-24)15-31-14-17(13-27-31)19-7-6-18(12-26)28-22(19)16-5-8-21-20(11-16)29-23(25)30(21)2/h5-8,11,13-14H,3-4,9-10,15H2,1-2H3
InChIKeyRPOKMWSTZSCJCB-UHFFFAOYSA-N
MW430.94 g/mol
LogP5.60
Rot. Bonds4

About 6-(2-chloro-1-methylbenzimidazol-5-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile

6-(2-chloro-1-methylbenzimidazol-5-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile (PubChem CID 137374374) has the molecular formula C24H23ClN6 and a molecular weight of 430.94 g/mol. Its IUPAC name is 6-(2-chloro-1-methylbenzimidazol-5-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(2-chloro-1-methylbenzimidazol-5-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
PubChem CID137374374
Molecular FormulaC24H23ClN6
Molecular Weight430.94 g/mol
Exact Mass430.17
IUPAC Name6-(2-chloro-1-methylbenzimidazol-5-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
SMILESCn1c(Cl)nc2cc(-c3nc(C#N)ccc3-c3cnn(CC4(C)CCCC4)c3)ccc21
InChIInChI=1S/C24H23ClN6/c1-24(9-3-4-10-24)15-31-14-17(13-27-31)19-7-6-18(12-26)28-22(19)16-5-8-21-20(11-16)29-23(25)30(21)2/h5-8,11,13-14H,3-4,9-10,15H2,1-2H3
InChIKeyRPOKMWSTZSCJCB-UHFFFAOYSA-N
XLogP5.60
TPSA72.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.94
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3-chloroquinolin-7-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137374153
6-chloro-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 129285789
6-(1,1-dimethyl-3-oxo-2H-isoindol-5-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137371251
5-[1-[[1-(1,1-difluoroethyl)cyclopropyl]methyl]pyrazol-4-yl]-6-(1,2-dimethylbenzimidazol-5-yl)pyridine-2-carbonitrile
CID 137390006
6-[2-(2-fluoroethyl)-3-oxo-1H-isoindol-5-yl]-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 129285848
3-fluoro-6-(1-methylbenzimidazol-5-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137374234
6-(1,2-dimethylbenzimidazol-5-yl)-5-[1-[(3-fluorocyclobutyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137390414
5-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-6-(2-methylbenzotriazol-5-yl)pyridine-2-carbonitrile
CID 137373863
2-methyl-6-[6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]indazole
CID 137373976
6-(2H-benzotriazol-5-yl)-5-[1-(2,2-dimethylpropyl)pyrazol-4-yl]pyridine-2-carbonitrile
CID 137371521
3-[5-[3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-3-oxo-1H-isoindol-2-yl]propanenitrile
CID 129285901
2-chloro-6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine
CID 129301800

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-1-methylbenzimidazol-5-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-(2-chloro-1-methylbenzimidazol-5-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile (CID 137374374) is 6-(2-chloro-1-methylbenzimidazol-5-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-(2-chloro-1-methylbenzimidazol-5-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-(2-chloro-1-methylbenzimidazol-5-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile is Cn1c(Cl)nc2cc(-c3nc(C#N)ccc3-c3cnn(CC4(C)CCCC4)c3)ccc21.
What is the InChIKey of 6-(2-chloro-1-methylbenzimidazol-5-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile?
The InChIKey is RPOKMWSTZSCJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN6/c1-24(9-3-4-10-24)15-31-14-17(13-27-31)19-7-6-18(12-26)28-22(19)16-5-8-21-20(11-16)29-23(25)30(21)2/h5-8,11,13-14H,3-4,9-10,15H2,1-2H3.
What are the key properties of 6-(2-chloro-1-methylbenzimidazol-5-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile?
6-(2-chloro-1-methylbenzimidazol-5-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile has a molecular weight of 430.94 g/mol, XLogP of 5.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-1-methylbenzimidazol-5-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 137374374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).